Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL321842
Molecular formulaC11H18N2O
IUPAC name1-methyl-N-pent-4-ynoxypiperidin-4-imine
Molecular weight194.278
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP1.2
Synonyms1-Methylpiperidine-4-one O-(4-pentynyl)oxime
Inchi KeyAXSWEUCJJOJJNV-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H18N2O/c1-3-4-5-10-14-12-11-6-8-13(2)9-7-11/h1H,4-10H2,2H3
PubChem CID44339177
ChEMBLCHEMBL321842
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17056Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
17057Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
17058Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589

yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218